NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
372832 |
1de3   |
4158 | cing | recoord | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_1de3
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 193
_Stereo_assign_list.Swap_count 5
_Stereo_assign_list.Swap_percentage 2.6
_Stereo_assign_list.Deassign_count 16
_Stereo_assign_list.Deassign_percentage 8.3
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 56.138
_Stereo_assign_list.Total_e_high_states 252.001
_Stereo_assign_list.Crit_abs_e_diff 0.100
_Stereo_assign_list.Crit_rel_e_diff 0.000
_Stereo_assign_list.Crit_mdls_favor_pct 75.0
_Stereo_assign_list.Crit_sing_mdl_viol 1.000
_Stereo_assign_list.Crit_multi_mdl_viol 0.500
_Stereo_assign_list.Crit_multi_mdl_pct 50.0
_Stereo_assign_list.Details
;
Description of the tags in this list:
* 1 * NMR-STAR 3 administrative tag
* 2 * NMR-STAR 3 administrative tag
* 3 * NMR-STAR 3 administrative tag
* 4 * Number of triplets (atom-group pair and pseudo)
* 5 * Number of triplets that were swapped
* 6 * Percentage of triplets that were swapped
* 7 * Number of deassigned triplets
* 8 * Percentage of deassigned triplets
* 9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag
Description of the tags in the table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Name of pseudoatom representing the triplet
* 5 * Ordinal number of assignment (1 is assigned first)
* 6 * 'yes' if assignment state is swapped with respect to restraint file
* 7 * Percentage of models in which the assignment with the lowest
overall energy is favoured
* 8 * Percentage of difference between lowest and highest overall energy
with respect to the highest overall energy
* 9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;
loop_
_Stereo_assign.Entity_assembly_ID
_Stereo_assign.Comp_index_ID
_Stereo_assign.Comp_ID
_Stereo_assign.Pseudo_Atom_ID
_Stereo_assign.Num
_Stereo_assign.Swapped
_Stereo_assign.Models_favoring_pct
_Stereo_assign.Energy_difference_pct
_Stereo_assign.Energy_difference
_Stereo_assign.Energy_high_state
_Stereo_assign.Energy_low_state
_Stereo_assign.Constraint_count
_Stereo_assign.Constraint_ambi_count
_Stereo_assign.Deassigned
_Stereo_assign.Violation_max
_Stereo_assign.Single_mdl_crit_count
_Stereo_assign.Multi_mdl_crit_count
1 2 VAL QG 6 no 100.0 100.0 0.616 0.616 0.000 27 7 no 0.000 0 0
1 4 TRP QB 11 no 100.0 0.0 0.000 0.004 0.004 18 4 no 0.126 0 0
1 7 LEU QB 186 no 100.0 0.0 0.000 0.000 0.000 2 2 no 0.000 0 0
1 7 LEU QD 7 no 100.0 100.0 0.613 0.613 0.000 23 4 no 0.000 0 0
1 8 ASN QB 49 no 100.0 0.0 0.000 0.005 0.005 8 4 no 0.153 0 0
1 9 ASP QB 66 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 10 GLN QE 131 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 10 GLN QG 80 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 11 LYS QB 38 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.000 0 0
1 11 LYS QE 130 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 11 LYS QG 31 no 0.0 0.0 0.000 0.025 0.025 10 0 no 0.281 0 0
1 12 ASN QB 65 no 100.0 0.0 0.000 0.060 0.060 6 0 no 0.405 0 0
1 12 ASN QD 183 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 13 PRO QB 192 no 100.0 98.4 0.607 0.617 0.010 1 0 no 0.129 0 0
1 13 PRO QD 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 14 LYS QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 16 ASN QB 112 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.027 0 0
1 17 LYS QB 180 no 100.0 0.0 0.000 0.005 0.005 2 0 no 0.120 0 0
1 18 TYR QB 111 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.035 0 0
1 18 TYR QD 110 yes 100.0 100.0 11.707 11.708 0.002 4 0 no 0.085 0 0
1 18 TYR QE 120 yes 100.0 100.0 9.198 9.198 0.000 4 2 no 0.000 0 0
1 19 GLU QB 64 no 100.0 0.0 0.000 0.035 0.035 6 0 no 0.263 0 0
1 19 GLU QG 179 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.084 0 0
1 21 LYS QB 63 no 100.0 0.0 0.000 0.017 0.017 6 0 no 0.238 0 0
1 22 ARG QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 ARG QD 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 22 ARG QG 119 no 100.0 0.0 0.000 0.002 0.002 4 2 no 0.116 0 0
1 23 LEU QB 62 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.086 0 0
1 23 LEU QD 26 no 100.0 0.0 0.000 0.000 0.000 12 12 no 0.000 0 0
1 24 LEU QB 61 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 24 LEU QD 15 no 100.0 100.0 1.326 1.326 0.000 15 0 no 0.000 0 0
1 25 TYR QB 37 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.062 0 0
1 25 TYR QD 132 no 90.0 91.7 8.553 9.324 0.771 3 0 yes 2.312 4 4
1 25 TYR QE 176 no 90.0 86.6 10.106 11.676 1.570 2 0 yes 3.241 4 4
1 26 ASN QB 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.043 0 0
1 27 GLN QB 19 no 100.0 100.0 0.914 0.914 0.000 13 4 no 0.019 0 0
1 27 GLN QG 60 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.106 0 0
1 28 ASN QB 174 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 29 LYS QB 36 no 100.0 0.0 0.000 0.002 0.002 10 4 no 0.210 0 0
1 31 GLU QB 109 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.044 0 0
1 31 GLU QG 41 no 100.0 0.0 0.000 0.019 0.019 8 0 no 0.348 0 0
1 32 SER QB 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 33 ASN QB 172 no 100.0 0.0 0.000 0.011 0.011 2 0 no 0.227 0 0
1 33 ASN QD 171 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 SER QB 13 no 100.0 0.0 0.000 0.015 0.015 16 6 no 0.240 0 0
1 35 HIS QB 108 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.075 0 0
1 36 HIS QB 107 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 38 PRO QB 129 no 100.0 0.0 0.000 0.008 0.008 4 4 no 0.190 0 0
1 38 PRO QD 17 no 100.0 0.0 0.000 0.000 0.000 15 2 no 0.000 0 0
1 39 LEU QB 170 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 LEU QD 8 no 100.0 92.5 0.100 0.108 0.008 22 9 no 0.375 0 0
1 40 SER QB 79 no 100.0 0.0 0.000 0.008 0.008 6 4 no 0.190 0 0
1 41 ASP QB 106 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 42 GLY QA 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.019 0 0
1 43 LYS QB 105 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 43 LYS QG 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 45 GLY QA 78 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 46 SER QB 104 no 100.0 0.0 0.000 0.005 0.005 4 0 no 0.257 0 0
1 48 TYR QB 77 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 48 TYR QD 103 yes 95.0 95.6 11.254 11.767 0.513 4 0 yes 2.299 3 3
1 48 TYR QE 118 yes 95.0 94.6 20.142 21.286 1.144 4 2 yes 3.391 3 3
1 49 PRO QB 42 no 100.0 0.0 0.000 0.000 0.000 8 2 no 0.000 0 0
1 49 PRO QD 48 no 100.0 0.0 0.000 3.293 3.293 8 4 yes 3.341 12 12
1 50 HIS QB 102 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 51 TRP QB 59 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 52 PHE QB 12 no 100.0 99.6 2.148 2.156 0.008 16 3 no 0.245 0 0
1 52 PHE QD 83 no 100.0 100.0 12.724 12.724 0.000 5 3 no 0.000 0 0
1 52 PHE QE 191 no 100.0 100.0 6.600 6.600 0.000 1 0 no 0.000 0 0
1 54 ASN QB 24 no 100.0 3.9 0.292 7.465 7.173 12 4 yes 4.351 12 12
1 54 ASN QD 128 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 55 GLY QA 127 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 56 TYR QB 76 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 56 TYR QD 117 no 70.0 45.6 8.225 18.035 9.809 4 2 yes 3.048 19 23
1 56 TYR QE 193 no 55.0 100.0 0.141 0.141 0.000 1 1 no 0.000 0 0
1 57 ASP QB 58 no 100.0 0.0 0.000 0.022 0.022 6 0 no 0.218 0 0
1 58 GLY QA 57 no 55.0 99.3 0.133 0.134 0.001 6 0 no 0.106 0 0
1 59 ASP QB 101 no 100.0 0.0 0.000 0.009 0.009 4 0 no 0.190 0 0
1 61 LYS QB 167 no 0.0 0.0 0.000 0.011 0.011 2 0 no 0.162 0 0
1 61 LYS QG 166 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 62 LEU QD 1 no 100.0 0.0 0.000 0.000 0.000 52 23 no 0.000 0 0
1 63 PRO QB 165 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.011 0 0
1 63 PRO QD 35 no 100.0 0.0 0.000 0.011 0.011 10 4 no 0.258 0 0
1 64 LYS QB 100 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.036 0 0
1 66 ARG QD 164 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 ARG QG 75 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 68 PRO QB 50 no 100.0 0.0 0.000 0.000 0.000 8 6 no 0.000 0 0
1 68 PRO QD 47 no 100.0 0.0 0.000 0.003 0.003 8 4 no 0.125 0 0
1 68 PRO QG 74 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 69 ILE QG 99 no 100.0 0.0 0.000 0.023 0.023 4 0 no 0.209 0 0
1 70 LYS QB 163 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 71 PHE QB 34 no 100.0 0.0 0.000 0.001 0.001 10 4 no 0.064 0 0
1 71 PHE QD 116 no 60.0 39.1 4.815 12.301 7.486 4 2 yes 3.524 24 35
1 71 PHE QE 184 no 70.0 38.3 0.012 0.030 0.019 2 1 no 0.353 0 0
1 72 GLY QA 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 75 ASP QB 30 no 100.0 99.9 0.398 0.398 0.001 10 0 no 0.099 0 0
1 76 CYS QB 25 no 100.0 0.0 0.000 0.002 0.002 12 8 no 0.126 0 0
1 77 ASP QB 40 no 100.0 54.4 9.541 17.555 8.014 9 1 yes 3.998 12 12
1 78 ARG QB 161 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.116 0 0
1 78 ARG QG 46 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 79 PRO QB 98 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 79 PRO QD 73 no 100.0 0.0 0.000 0.000 0.000 6 4 no 0.000 0 0
1 79 PRO QG 160 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 PRO QB 115 no 100.0 0.0 0.000 0.000 0.000 4 2 no 0.000 0 0
1 80 PRO QD 159 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 PRO QG 126 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 81 LYS QB 97 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.038 0 0
1 81 LYS QG 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.013 0 0
1 82 HIS QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 84 LYS QB 156 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.029 0 0
1 84 LYS QG 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.043 0 0
1 85 ASP QB 154 no 100.0 0.0 0.000 0.012 0.012 2 0 no 0.164 0 0
1 86 GLY QA 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 91 ASP QB 96 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 92 HIS QB 95 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 93 TYR QB 21 no 100.0 99.7 0.194 0.195 0.001 12 2 no 0.108 0 0
1 93 TYR QD 190 yes 75.0 88.2 0.818 0.927 0.109 1 0 no 0.940 0 3
1 94 LEU QB 69 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 94 LEU QD 5 no 100.0 100.0 0.844 0.844 0.000 27 4 no 0.000 0 0
1 95 LEU QB 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 LEU QD 9 no 100.0 100.0 0.191 0.191 0.000 21 4 no 0.000 0 0
1 96 GLU QB 68 no 100.0 0.0 0.000 0.000 0.000 6 2 no 0.000 0 0
1 96 GLU QG 45 no 100.0 0.0 0.000 0.010 0.010 8 4 no 0.282 0 0
1 97 PHE QB 27 no 20.0 100.0 0.007 0.007 0.000 11 3 no 0.000 0 0
1 97 PHE QD 189 no 70.0 53.7 2.113 3.933 1.820 1 0 yes 2.640 6 6
1 97 PHE QE 134 no 70.0 62.5 5.662 9.063 3.402 3 2 yes 1.283 6 16
1 98 PRO QB 94 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 98 PRO QD 56 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 98 PRO QG 18 no 100.0 0.0 0.000 0.000 0.000 14 8 no 0.000 0 0
1 100 PHE QB 93 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 101 PRO QB 151 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.075 0 0
1 101 PRO QD 29 no 100.0 100.0 1.058 1.058 0.000 10 0 no 0.000 0 0
1 102 ASP QB 92 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 103 GLY QA 125 no 100.0 0.0 0.000 0.002 0.002 4 4 no 0.210 0 0
1 104 HIS QB 81 no 100.0 100.0 0.398 0.398 0.000 5 0 no 0.000 0 0
1 105 ASP QB 91 no 100.0 0.0 0.000 0.026 0.026 4 0 no 0.218 0 0
1 107 LYS QB 90 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 107 LYS QG 150 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 108 PHE QB 33 no 100.0 0.0 0.000 0.000 0.000 10 4 no 0.026 0 0
1 109 ASP QB 89 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.046 0 0
1 111 LYS QB 44 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.024 0 0
1 112 LYS QB 149 no 100.0 0.0 0.000 0.019 0.019 2 0 no 0.198 0 0
1 112 LYS QG 148 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 114 LYS QB 147 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.055 0 0
1 114 LYS QD 185 no 100.0 0.0 0.000 0.939 0.939 2 2 no 0.000 0 0
1 114 LYS QE 55 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.002 0 0
1 115 GLU QB 146 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 GLU QG 145 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.032 0 0
1 116 ASN QB 144 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.015 0 0
1 117 PRO QB 72 no 100.0 0.0 0.000 0.003 0.003 6 4 no 0.226 0 0
1 117 PRO QD 143 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 117 PRO QG 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 118 GLY QA 141 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 119 PRO QD 124 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 121 ARG QB 23 no 100.0 0.0 0.000 0.008 0.008 12 4 no 0.256 0 0
1 121 ARG QD 32 no 100.0 0.0 0.000 0.018 0.018 10 4 no 0.282 0 0
1 121 ARG QG 123 no 100.0 0.0 0.000 0.000 0.000 4 4 no 0.000 0 0
1 122 VAL QG 2 no 100.0 100.0 0.602 0.602 0.000 42 9 no 0.000 0 0
1 123 ILE QG 71 no 100.0 0.0 0.000 0.001 0.001 6 4 no 0.160 0 0
1 124 TYR QB 16 no 100.0 99.1 1.124 1.134 0.010 15 1 no 0.133 0 0
1 124 TYR QD 82 no 100.0 100.0 17.038 17.038 0.000 5 3 no 0.000 0 0
1 124 TYR QE 84 no 100.0 100.0 8.711 8.711 0.000 5 4 no 0.000 0 0
1 126 TYR QB 113 no 100.0 99.0 0.018 0.019 0.000 4 1 no 0.043 0 0
1 126 TYR QD 114 no 85.0 82.7 9.022 10.904 1.882 4 2 yes 2.901 6 6
1 126 TYR QE 188 no 85.0 81.0 7.956 9.817 1.861 1 0 yes 3.608 3 3
1 127 PRO QD 54 no 95.0 96.2 0.183 0.190 0.007 6 0 no 0.176 0 0
1 128 ASN QB 53 no 100.0 0.0 0.000 0.003 0.003 6 0 no 0.117 0 0
1 128 ASN QD 140 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 129 LYS QB 88 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 129 LYS QD 87 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 129 LYS QE 70 no 100.0 0.0 0.000 0.822 0.822 6 4 yes 1.126 6 17
1 129 LYS QG 122 no 100.0 0.0 0.000 0.015 0.015 4 4 no 0.240 0 0
1 131 PHE QB 86 no 100.0 0.0 0.000 0.002 0.002 4 0 no 0.131 0 0
1 131 PHE QD 187 no 90.0 88.4 2.687 3.038 0.351 1 0 yes 1.989 2 2
1 131 PHE QE 133 no 90.0 86.8 6.384 7.357 0.973 3 1 yes 3.170 3 4
1 132 CYS QB 22 no 100.0 0.0 0.000 0.002 0.002 12 4 no 0.126 0 0
1 133 GLY QA 20 no 100.0 0.0 0.000 0.000 0.000 12 0 no 0.000 0 0
1 135 ILE QG 39 no 100.0 0.0 0.000 0.008 0.008 10 8 no 0.256 0 0
1 137 HIS QB 28 no 100.0 0.0 0.000 0.001 0.001 10 0 no 0.037 0 0
1 139 LYS QE 139 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 139 LYS QG 121 no 0.0 0.0 0.000 0.005 0.005 4 4 no 0.193 0 0
1 140 GLU QB 52 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.050 0 0
1 140 GLU QG 14 no 95.0 0.0 0.000 3.563 3.563 16 10 no 0.193 0 0
1 141 ASN QB 138 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.042 0 0
1 142 GLN QB 137 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 144 GLU QB 136 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.016 0 0
1 144 GLU QG 51 no 100.0 0.0 0.000 0.001 0.001 6 0 no 0.096 0 0
1 145 LEU QB 85 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 145 LEU QD 3 no 100.0 100.0 0.954 0.954 0.000 33 0 no 0.000 0 0
1 146 LYS QB 135 no 100.0 0.0 0.000 0.002 0.002 2 0 no 0.188 0 0
1 147 LEU QB 43 no 100.0 0.0 0.000 0.000 0.000 8 4 no 0.000 0 0
1 147 LEU QD 4 no 100.0 95.6 2.133 2.231 0.098 33 6 no 0.645 0 3
1 148 CYS QB 10 no 100.0 99.7 7.602 7.625 0.022 18 0 no 0.223 0 0
1 150 HIS QB 67 no 100.0 0.0 0.000 0.002 0.002 6 2 no 0.153 0 0
stop_
save_
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